SCHEMBL7916068

SCHEMBL7916068

Cc1ccc(-n2nccn2)c(C(=O)N2CC(C)[C@@H](C)C[C@H]2CNc2cnc(C(F)(F)F)cn2)n1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.71
HCRTR2 O43614 11/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL261968 0.91 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL7909261 0.89 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL295410 0.88 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL31372735 0.83 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL19256148 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL23639367 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19256160 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20774319 0.80 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20773589 0.80 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL20773780 0.80 HCRTR1 (1.00) HCRTR1HCRTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010063662-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0] HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed